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3,4-dimethylisoxazol-5(4H)-one

3,4-dimethylisoxazol-5(4H)-one structure

CAS No:
15731-93-8
Formula:
C5H7NO2
Chemical Name:
3,4-dimethylisoxazol-5(4H)-one
Synonyms:
3,4-dimethylisoxazol-5(4H)-one;3,4-dimethylisoxazolin-5-one;CTK0B0498;DTXSID30337699;3,4-Dimethyl-5(4H)-isoxazolone;3,4-Dimethyl-isoxazol-5(4H)-one;ANW-49058;3,4-Dimethyl-5(4H)-isoxazolone #;5(4H)-isoxazolone, 3,4-dimethyl-;AKOS015920417

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3,4-dimethylisoxazol-5(4H)-one Basic Attributes

Molecular Weight：

113.11458

Exact Mass：

113.04800

DSSTox ID：

DTXSID30337699

HScode：

2934999090

Characteristics

PSA：

38.7

XLogP3：

0.7

Density：

1.24±0.1 g/cm3(Predicted)

Melting Point：

49 °C

Boiling Point：

88 °C(Press: 0.2 Torr)

Computed Properties

Molecular Weight:113.11
XLogP3:0.7
Hydrogen Bond Acceptor Count:3
Exact Mass:113.047678466
Monoisotopic Mass:113.047678466
Topological Polar Surface Area:38.7
Heavy Atom Count:8
Complexity:151
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-dimethylisoxazol-5(4H)-one

Basic Attributes
Characteristics
Computed Properties

3,4-dimethylisoxazol-5(4H)-one

SDS

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